N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

C16H18N4OS — CID 158437458

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(=Cc3ccccn3)CC2)n1
InChIInChI=1S/C16H18N4OS/c1-12-11-22-15(18-12)19-16(21)20-8-5-13(6-9-20)10-14-4-2-3-7-17-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeyHCKGLRZWPMNZJT-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.56
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (PubChem CID 158437458) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
PubChem CID158437458
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(=Cc3ccccn3)CC2)n1
InChIInChI=1S/C16H18N4OS/c1-12-11-22-15(18-12)19-16(21)20-8-5-13(6-9-20)10-14-4-2-3-7-17-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeyHCKGLRZWPMNZJT-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 87110779
4-[5-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]pyrimidin-2-yl]benzoic acid
CID 66692394
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 78871932
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 138997096
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71573129
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 89424116

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (CID 158437458) is N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(=Cc3ccccn3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The InChIKey is HCKGLRZWPMNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-12-11-22-15(18-12)19-16(21)20-8-5-13(6-9-20)10-14-4-2-3-7-17-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,19,21).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is sourced from PubChem (CID 158437458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).